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Information card for entry 4112119
Preview
| Coordinates | 4112119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ru(H)2(eta2-H2)2[P(C5H27)3]2 |
|---|---|
| Formula | C30 H60 P2 Ru |
| Calculated formula | C30 H60 P2 Ru |
| SMILES | C1(CCCC1)[P](C1CCCC1)(C1CCCC1)[RuH6][P](C1CCCC1)(C1CCCC1)C1CCCC1 |
| Title of publication | Synthesis, Neutron Structure, and Reactivity of the Bis(dihydrogen) Complex RuH2(η2-H2)2(PCyp3)2 Stabilized by Two Tricyclopentylphosphines |
| Authors of publication | Mary Grellier; Laure Vendier; Bruno Chaudret; Alberto Albinati; Silvia Rizzato; Sax Mason; Sylviane Sabo-Etienne |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Pages of publication | 17592 - 17593 |
| a | 14.8322 ± 0.0009 Å |
| b | 9.4259 ± 0.0006 Å |
| c | 21.679 ± 0.0014 Å |
| α | 90 ± 0.002° |
| β | 105.377 ± 0.0017° |
| γ | 90 ± 0.002° |
| Cell volume | 2922.4 ± 0.3 Å3 |
| Cell temperature | 20 ± 1 K |
| Ambient diffraction temperature | 20 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1207 |
| Weighted residual factors for all reflections included in the refinement | 0.144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.316 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178892 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/21. |
4112119.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112119.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
4112119.cif |
| 63740 | 2012-08-06 | cif/ Adding structures of 4112119 via cif-deposit CGI script. |
4112119.cif |
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Users of the data should acknowledge the original authors of the
structural data.